2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid

C15H26N2O4 — CID 60948393

IUPAC2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
SMILESCNC(=O)C1CCCCN1C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C15H26N2O4/c1-10(2)15(3,14(20)21)9-12(18)17-8-6-5-7-11(17)13(19)16-4/h10-11H,5-9H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyGHJUHYPEEMAPOK-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.25
Rot. Bonds5

About 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid

2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 60948393) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID60948393
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
SMILESCNC(=O)C1CCCCN1C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C15H26N2O4/c1-10(2)15(3,14(20)21)9-12(18)17-8-6-5-7-11(17)13(19)16-4/h10-11H,5-9H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyGHJUHYPEEMAPOK-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43578415
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 102725627
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
N-methyl-1-[4-(propan-2-ylamino)butanoyl]piperidine-2-carboxamide
CID 54871434
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
2-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 112685367
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-(3-aminobutanoyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119736640
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid (CID 60948393) is 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid is CNC(=O)C1CCCCN1C(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is GHJUHYPEEMAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10(2)15(3,14(20)21)9-12(18)17-8-6-5-7-11(17)13(19)16-4/h10-11H,5-9H2,1-4H3,(H,16,19)(H,20,21).
What are the key properties of 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid?
2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 60948393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).